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Information card for entry 4106876
Preview
Coordinates | 4106876.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H59 N O P2 Pd2 |
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Calculated formula | C42 H59 N O P2 Pd2 |
SMILES | [Pd]12([P](Cc3c2cccc3)(C(C)(C)C)C(C)(C)C)[OH][Pd]2([P](Cc3c2cccc3)(C(C)(C)C)C(C)(C)C)[N]1(c1ccccc1)c1ccccc1 |
Title of publication | Intermolecular Migratory Insertion of Unactivated Olefins into Palladium-Nitrogen Bonds. Steric and Electronic Effects on the Rate of Migratory Insertion |
Authors of publication | Patrick S. Hanley; John F. Hartwig |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 15661 - 15673 |
a | 21.2843 ± 0.0015 Å |
b | 9.3814 ± 0.0007 Å |
c | 20.7994 ± 0.0014 Å |
α | 90° |
β | 94.453 ± 0.003° |
γ | 90° |
Cell volume | 4140.6 ± 0.5 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0613 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0723 |
Weighted residual factors for all reflections included in the refinement | 0.0802 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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